| SpectraBase Compound ID | CxmrWr4R5rF |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-4-7-10-12-13-14-16-19-26-21(24)20(17-15-11-8-5-2)23-22(25)27-18-9-6-3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | LECXWZVJOCYLOZ-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C22H43NO4 |
| Exact Mass | 385.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5U0M9Udzwk |
|---|---|
| Name | 2-Aminocaprylic acid, N-butoxycarbonyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.319208865 u |
| Formula | C22H43NO4 |
| InChI | InChI=1S/C22H43NO4/c1-4-7-10-12-13-14-16-19-26-21(24)20(17-15-11-8-5-2)23-22(25)27-18-9-6-3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | LECXWZVJOCYLOZ-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | CCCCOC(NC(C(OCCCCCCCCC)=O)CCCCCC)=O |